BDBM46070 1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone::1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone::1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone::2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone::MLS-0390851.0001::cid_1400246
SMILES: Cc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
InChI Key: InChIKey=NDKRISOEDOWGCA-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM46070![]() (1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM46070![]() (1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-p...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG | |||||||||||
More data for this Ligand-Target Pair |